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6CMS
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BU of 6cms by Molmil
Closed structure of active SHP2 mutant E76K bound to SHP099 inhibitor
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
Deposit date:2018-03-06
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
6CMP
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BU of 6cmp by Molmil
Closed structure of inactive SHP2 mutant C459E
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
Deposit date:2018-03-06
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
6CMQ
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BU of 6cmq by Molmil
Structure of human SHP2 without N-SH2 domain
Descriptor: Tyrosine-protein phosphatase non-receptor type 11
Authors:Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D.
Deposit date:2018-03-06
Release date:2018-11-14
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
6CRG
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BU of 6crg by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in complex with SHP099
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, GLYCEROL, SULFATE ION, ...
Authors:Stams, T, Fodor, M.
Deposit date:2018-03-17
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
6CRF
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BU of 6crf by Molmil
Crystal Structure of Shp2 E76K GOF Mutant in the Open Conformation
Descriptor: GLYCEROL, Tyrosine-protein phosphatase non-receptor type 11
Authors:Stams, T, Fodor, M.
Deposit date:2018-03-17
Release date:2018-11-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural reorganization of SHP2 by oncogenic mutations and implications for oncoprotein resistance to allosteric inhibition.
Nat Commun, 9, 2018
6E2P
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BU of 6e2p by Molmil
Structure of human JAK2 FERM/SH2 in complex with Leptin Receptor
Descriptor: Leptin receptor, SULFATE ION, Tyrosine-protein kinase JAK2
Authors:Ferrao, R, Lupardus, P.J, Wallweber, H.J.A.
Deposit date:2018-07-11
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.83 Å)
Cite:Receptor-mediated dimerization of JAK2 FERM domains is required for JAK2 activation.
Elife, 7, 2018
6E2Q
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BU of 6e2q by Molmil
Structure of human JAK2 FERM/SH2 in complex with Erythropoietin Receptor
Descriptor: Erythropoietin receptor, Tyrosine-protein kinase JAK2
Authors:Ferrao, R, Lupardus, P.J.
Deposit date:2018-07-11
Release date:2018-08-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Receptor-mediated dimerization of JAK2 FERM domains is required for JAK2 activation.
Elife, 7, 2018
6E8I
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BU of 6e8i by Molmil
Legionella Longbeachae LeSH (Llo2327) bound to phosphotyrosine
Descriptor: LeSH (Llo2327), O-PHOSPHOTYROSINE
Authors:Kaneko, T, Li, S.S.C.
Deposit date:2018-07-29
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
6E8H
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BU of 6e8h by Molmil
Legionella Longbeachae LeSH (Llo2327)
Descriptor: CHLORIDE ION, LeSH (Llo2327)
Authors:Kaneko, T, Li, S.S.C.
Deposit date:2018-07-29
Release date:2018-11-14
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
6E8M
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BU of 6e8m by Molmil
Legionella Longbeachae LeSH (Llo2327) bound to the human DnaJ-A1 pTyr381 peptide
Descriptor: DnaJ-A1 pTyr381 peptide, LeSH (Llo2327)
Authors:Kaneko, T, Li, S.S.C.
Deposit date:2018-07-30
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
6E8K
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BU of 6e8k by Molmil
Legionella Longbeachae LeSH (Llo2327) bound to the human interleukin-2 receptor beta pTyr387 peptide
Descriptor: LeSH (Llo2327), interleukin-2 receptor beta pTyr387 peptide
Authors:Kaneko, T, Li, S.S.C.
Deposit date:2018-07-30
Release date:2018-11-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Identification and characterization of a large family of superbinding bacterial SH2 domains.
Nat Commun, 9, 2018
6MBZ
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BU of 6mbz by Molmil
Structure of Transcription Factor
Descriptor: Signal transducer and activator of transcription 5B
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2018-08-30
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structural and functional consequences of the STAT5BN642Hdriver mutation.
Nat Commun, 10, 2019
6MBW
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BU of 6mbw by Molmil
Structure of Transcription Factor
Descriptor: Signal transducer and activator of transcription 5B
Authors:Seo, H.-S, Dhe-Paganon, S.
Deposit date:2018-08-30
Release date:2019-06-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.29 Å)
Cite:Structural and functional consequences of the STAT5BN642H driver mutation.
Nat Commun, 10, 2019
6MD9
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BU of 6md9 by Molmil
NON-RECEPTOR PROTEIN TYROSINE PHOSPHATASE SHP2 IN COMPLEX WITH ALLOSTERIC INHIBITOR Isoxazolo-pyridinone 3
Descriptor: 3-(2-chlorophenyl)-6-{4-[(dimethylamino)methyl]phenyl}-5-methyl[1,2]oxazolo[4,5-c]pyridin-4(5H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDA
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BU of 6mda by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyridine 4
Descriptor: 3-(4-bromophenyl)-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MD7
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BU of 6md7 by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrimidinone 7
Descriptor: 2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-{[2-(trifluoromethyl)pyridin-3-yl]sulfanyl}pyrimidin-4(3H)-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDD
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BU of 6mdd by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Imidazo-pyridine 24
Descriptor: 5-[(2,3-dichlorophenyl)sulfanyl]-3H-imidazo[4,5-b]pyridin-2-amine, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDB
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BU of 6mdb by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 5
Descriptor: 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:6-Amino-3-methylpyrimidinones as Potent, Selective, and Orally Efficacious SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6MDC
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BU of 6mdc by Molmil
Non-receptor Protein Tyrosine Phosphatase SHP2 in Complex with Allosteric Inhibitor Pyrazolo-pyrimidinone 1 SHP389
Descriptor: 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-[3-chloro-2-(cyclopropylamino)pyridin-4-yl]-5-methyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, PHOSPHATE ION, Tyrosine-protein phosphatase non-receptor type 11
Authors:Fodor, M, Stams, T.
Deposit date:2018-09-04
Release date:2019-02-13
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Optimization of Fused Bicyclic Allosteric SHP2 Inhibitors.
J. Med. Chem., 62, 2019
6ICH
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BU of 6ich by Molmil
Grb2 SH2 domain in domain swapped dimer form
Descriptor: Growth factor receptor-bound protein 2
Authors:Hosoe, Y, Numoto, N, Inaba, S, Ogawa, S, Morii, H, Abe, R, Ito, N, Oda, M.
Deposit date:2018-09-06
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and functional properties of Grb2 SH2 dimer in CD28 binding.
Biophys Physicobio., 16, 2019
6ICG
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BU of 6icg by Molmil
Grb2 SH2 domain in phosphopeptide free form
Descriptor: GLYCEROL, Growth factor receptor-bound protein 2, SULFATE ION
Authors:Hosoe, Y, Numoto, N, Inaba, S, Ogawa, S, Morii, H, Abe, R, Ito, N, Oda, M.
Deposit date:2018-09-06
Release date:2019-07-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structural and functional properties of Grb2 SH2 dimer in CD28 binding.
Biophys Physicobio., 16, 2019
6HTF
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BU of 6htf by Molmil
Crystal structure of human Btk SH2 domain bound to rF10 repebody
Descriptor: Tyrosine-protein kinase BTK, rF10 repebody
Authors:Duarte, D.P, Pojer, F, Hantschel, O.
Deposit date:2018-10-04
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.102 Å)
Cite:Btk SH2-kinase interface is critical for allosteric kinase activation and its targeting inhibits B-cell neoplasms.
Nat Commun, 11, 2020
6I4X
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BU of 6i4x by Molmil
Crystal structure of SOCS2:Elongin C:Elongin B in complex with erythropoietin receptor peptide
Descriptor: DI(HYDROXYETHYL)ETHER, Elongin-B, Elongin-C, ...
Authors:Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
Deposit date:2018-11-12
Release date:2019-05-29
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
6I5J
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BU of 6i5j by Molmil
Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor peptide
Descriptor: COBALT (II) ION, Elongin-B, Elongin-C, ...
Authors:Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
Deposit date:2018-11-13
Release date:2019-05-29
Last modified:2019-11-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019
6I5N
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BU of 6i5n by Molmil
Crystal structure of SOCS2:Elongin C:Elongin B in complex with growth hormone receptor peptide
Descriptor: COBALT (II) ION, Elongin-B, Elongin-C, ...
Authors:Kung, W.W, Ramachandran, S, Makukhin, N, Bruno, E, Ciulli, A.
Deposit date:2018-11-14
Release date:2019-05-29
Last modified:2019-06-19
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural insights into substrate recognition by the SOCS2 E3 ubiquitin ligase.
Nat Commun, 10, 2019

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